1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one

C14H26O — CID 57219007

IUPAC1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1CCCC(C)(C)C1
InChIInChI=1S/C14H26O/c1-11(2)8-13(15)9-12-6-5-7-14(3,4)10-12/h11-12H,5-10H2,1-4H3
InChIKeyGRWQKEVYUXTRLZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds4

About 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one

1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one (PubChem CID 57219007) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
PubChem CID57219007
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1CCCC(C)(C)C1
InChIInChI=1S/C14H26O/c1-11(2)8-13(15)9-12-6-5-7-14(3,4)10-12/h11-12H,5-10H2,1-4H3
InChIKeyGRWQKEVYUXTRLZ-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-dimethylcyclohexyl)methanol
CID 14034040
2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
CID 109468073
1-(azetidin-2-yl)-4-methylpentan-2-one
CID 105430403
2-(tert-butylamino)-1-(3,3-dimethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 22972943
2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide
CID 136531795
4-amino-1-cyclohexyl-5-methylhexan-2-one
CID 116606337
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
ethyl 2-amino-2-(3,3-dimethylcyclohexyl)acetate
CID 142620521
4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
CID 116576928
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide
CID 97244130
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116750112

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one (CID 57219007) is 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one is CC(C)CC(=O)CC1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
The InChIKey is GRWQKEVYUXTRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)8-13(15)9-12-6-5-7-14(3,4)10-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one is sourced from PubChem (CID 57219007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).